SCHEMBL4980381

SCHEMBL4980381

c1nc2c(c(N3CCN(C4CCC4)CC3)n1)CCN(Cc1ccc(N3CCCC3)nc1)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 5/20 0.38
HRH1 P35367 1/20 0.38
CXCR3 P49682 3/20 0.35
TLR7 Q9NYK1 2/20 0.35
TRPV6 Q9H1D0 3/20 0.35
TLR9 Q9NR96 1/20 0.35
L3MBTL3 Q96JM7 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TP53BP1 Q12888 1/20 0.34
SMO Q99835 1/20 0.34
RET P07949 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4980403 0.93 MEN1 (0.41) MEN1KMT2AHRH3HRH1CXCR3
SCHEMBL4978218 0.93 PIK3CA (0.39) MEN1KMT2AHRH3HRH1CXCR3
SCHEMBL4980684 0.87 L3MBTL3 (0.47) MEN1KMT2AHRH3HRH1L3MBTL3
SCHEMBL4977730 0.86 PIK3CA (0.41) MEN1KMT2AHRH3HRH1CXCR3
SCHEMBL4976294 0.84 MEN1 (0.54) MEN1KMT2AHRH3HRH1TLR7
SCHEMBL4976766 0.84 HRH3 (0.47) MEN1KMT2AHRH3HRH1CXCR3
SCHEMBL4071423 0.84 HRH1 (0.46) MEN1KMT2AHRH3HRH1TRPV6
SCHEMBL4978114 0.84 TRPV6 (0.52) MEN1KMT2AHRH3HRH1TRPV6
SCHEMBL4981995 0.82 HRH1 (0.49) MEN1KMT2AHRH3HRH1TLR7
SCHEMBL4980449 0.82 MEN1 (0.43) MEN1KMT2AHRH3HRH1CXCR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 MEN1 4419/4885KMT2A 1417/4885HRH3 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.